Vitas-M small molecule compound
methyl 4-{[({5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK328700
SMILES COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1[nH]nc(c1)c1ccco1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22N6O5S MW 530.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O5S/c1-35-22-7-4-3-6-20(22)32-24(19-14-18(28-29-19)21-8-5-13-37-21)30-31-26(32)38-15-23(33)27-17-11-9-16(10-12-17)25(34)36-2/h3-14H,15H2,1-2H3,(H,27,33)(H,28,29)InChIKey
XFDIDVKOSMRJIA-UHFFFAOYSA-NSynonyms
1119471-81-61119471816
COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=NNC(=C4)C5=CC=CO5
COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1c1(nH)nc(c1)c1ccco1
InChI=1SC26H22N6O5Sc13522743620(22)3224(191418(282919)2185133721)303126(32)381523(33)271711916(101217)25(34)362h314H15H212H3(H2733)(H2829)
methyl4((((5(3(furan2yl)1Hpyrazol5yl)4(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(5(FURAN2YL)1HPYRAZOL3YL)4(2METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06618485
ZINC000098008253
ZINC98008253
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